| Compound Information | SONAR Target prediction | | Name: | CLOVANEDIOL DIACETATE | | Unique Identifier: | SPE00300133 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 292.201 g/mol | | X log p: | -0.016 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 52.6 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(=O)OC1CCC23CC1(C)CCC2C(C)(C)CC3OC(C)=O | | Class: | sesquiterpene | | Source: | derivative Dipterocarpus pilosus, Salvia canariensis, Viguiera oaxacana, Sindora
sumatrana | | Reference: | Chem Pharm Bull 42: 138 (1994) |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4864±0.00615183 |
| Normalized OD Score: sc h |
0.9021±0.0101364 |
| Z-Score: |
-4.2427±0.234441 |
| p-Value: |
0.000028021 |
| Z-Factor: |
-0.0962122 |
| Fitness Defect: |
10.4826 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2008-08-22 YYYY-MM-DD | | Plate CH Control (+): | 0.040775±0.00084 | | Plate DMSO Control (-): | 0.5461750000000001±0.01699 | | Plate Z-Factor: | 0.9005 |
|  png
ps
pdf |
| 604337 |
n/a |
| 619620 |
(6-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropice
n-3-yl) acetate |
| 620029 |
[7,12-diacetyloxy-17-(6-acetyloxy-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17
-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 622935 |
[3-acetyloxy-10-(hydroxymethyl)-4,4,13-trimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclope
nta[a]phenanthren-17-yl] acetate |
| 623808 |
n/a |
| 627178 |
[11-acetyloxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyc
lopenta[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 4651 | Additional Members: 2 | Rows returned: 0 | |
|
